BC3V1N -OEChem-04012112562D 48 53 0 0 0 0 0 0 0999 V2000 2.9180 1.9876 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6501 1.9876 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5325 -1.5470 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7841 -1.5124 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2413 -3.5669 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7841 1.4876 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6501 0.9876 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6501 -0.0124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7841 3.4876 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9180 0.9876 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9180 2.9876 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6501 2.9876 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8001 4.5291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5440 1.5222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7841 -0.5124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9180 -0.0124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5440 -0.5471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0080 3.4944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5601 3.4944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4501 1.0084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4501 -0.0333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9021 5.0568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6660 5.0568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 4.5360 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5681 4.5360 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3926 -2.0570 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3811 -3.0570 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5093 -3.5469 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4978 -4.5468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2297 -4.5669 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3580 -5.0568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3811 1.2976 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5368 2.1422 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3811 -0.3224 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4747 3.1782 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0934 3.1782 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9858 1.3204 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9858 -0.3453 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9045 5.6768 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6587 5.6768 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4619 4.8439 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1062 4.8439 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0019 -2.1717 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6114 -1.4769 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9760 -3.2307 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9573 -4.8506 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7630 -4.8830 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3508 -5.6768 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 6 1 0 0 0 0 1 11 1 0 0 0 0 2 6 1 0 0 0 0 2 12 1 0 0 0 0 3 17 1 0 0 0 0 3 26 1 0 0 0 0 4 15 2 0 0 0 0 5 27 1 0 0 0 0 5 30 2 0 0 0 0 6 7 1 0 0 0 0 6 10 1 0 0 0 0 7 8 2 0 0 0 0 7 14 1 0 0 0 0 8 15 1 0 0 0 0 8 17 1 0 0 0 0 9 11 1 0 0 0 0 9 12 1 0 0 0 0 9 13 2 0 0 0 0 10 16 2 0 0 0 0 10 32 1 0 0 0 0 11 18 2 0 0 0 0 12 19 2 0 0 0 0 13 22 1 0 0 0 0 13 23 1 0 0 0 0 14 20 2 0 0 0 0 14 33 1 0 0 0 0 15 16 1 0 0 0 0 16 34 1 0 0 0 0 17 21 2 0 0 0 0 18 24 1 0 0 0 0 18 35 1 0 0 0 0 19 25 1 0 0 0 0 19 36 1 0 0 0 0 20 21 1 0 0 0 0 20 37 1 0 0 0 0 21 38 1 0 0 0 0 22 24 2 0 0 0 0 22 39 1 0 0 0 0 23 25 2 0 0 0 0 23 40 1 0 0 0 0 24 41 1 0 0 0 0 25 42 1 0 0 0 0 26 27 1 0 0 0 0 26 43 1 0 0 0 0 26 44 1 0 0 0 0 27 28 2 0 0 0 0 28 29 1 0 0 0 0 28 45 1 0 0 0 0 29 31 2 0 0 0 0 29 46 1 0 0 0 0 30 31 1 0 0 0 0 30 47 1 0 0 0 0 31 48 1 0 0 0 0 M END $$$$